Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL157381

Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
O=C(O)[C@]1(O)C=C[C@@H](OCc2ccccc2)[C@H](O)C1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL157381
Phase Preclinical
Structure Type MOL
InChI Key FBLHTCZDBAXIRZ-BZPMIXESSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

264.3
MW (Da)
0.71
ALogP
4
HBA
3
HBD
87.0
PSA (Ų)
0.70
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H16O5
MW 264.28
Aromatic Rings 1
Heavy Atoms 19
NP-Likeness 1.04

Activity Summary

Ki 1 meas.

Literature References

PubMed DOI Target Context # Activities
14667226 10.1021/jm030987q 3-dehydroquinate dehydratase 1

Data from ChEMBL 36 via Core Engine